3-(4-ethylphenyl)-5-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-ethylphenyl)-5-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 5-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole CAS Name: 3-(4-ethylphenyl)-5-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-ethylphenyl)-5-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 5-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3CC=C)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3CC=C)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-3-14-27-21(18-8-6-5-7-9-18)24-25-22(27)29-15-19-23-20(26-28-19)17-12-10-16(4-2)11-13-17/h3,5-13H,1,4,14-15H2,2H3